1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid

C17H23FN2O3 — CID 122000719

IUPAC1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(CNC(=O)N1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c1-17(2,13-5-7-14(18)8-6-13)11-19-16(23)20-9-3-4-12(10-20)15(21)22/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyULXDTKFOVODINF-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.61
Rot. Bonds4

About 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122000719) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122000719
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(C)(CNC(=O)N1CCCC(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c1-17(2,13-5-7-14(18)8-6-13)11-19-16(23)20-9-3-4-12(10-20)15(21)22/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyULXDTKFOVODINF-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
1-[[4-(1,1-difluoroethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015342
(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 92633544
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428233
(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016418
(3S)-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104864513
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104985172
1-[(2-methoxy-2-methylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016303
(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
1-[(Z)-3-(4-fluorophenyl)-2-methylprop-2-enoyl]piperidine-3-carboxylic acid
CID 86782489

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid (CID 122000719) is 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid is CC(C)(CNC(=O)N1CCCC(C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ULXDTKFOVODINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-17(2,13-5-7-14(18)8-6-13)11-19-16(23)20-9-3-4-12(10-20)15(21)22/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 322.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122000719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).